ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide

C32H37N7O3 — CID 143466056

IUPACethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCC.Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C30H31N7O3.C2H6/c1-20-16-21(4-7-27(20)40-24-10-12-36-15-11-31-28(36)18-24)34-29-25-17-23(5-6-26(25)32-19-33-29)39-22-8-13-37(14-9-22)30(38)35(2)3;1-2/h4-7,10-12,15-19,22H,8-9,13-14H2,1-3H3,(H,32,33,34);1-2H3
InChIKeyPDVWCOAOMVLMPX-UHFFFAOYSA-N
MW567.69 g/mol
LogP6.67
Rot. Bonds6

About ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide

ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 143466056) has the molecular formula C32H37N7O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Nameethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
PubChem CID143466056
Molecular FormulaC32H37N7O3
Molecular Weight567.69 g/mol
Exact Mass567.30
IUPAC Nameethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCC.Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C30H31N7O3.C2H6/c1-20-16-21(4-7-27(20)40-24-10-12-36-15-11-31-28(36)18-24)34-29-25-17-23(5-6-26(25)32-19-33-29)39-22-8-13-37(14-9-22)30(38)35(2)3;1-2/h4-7,10-12,15-19,22H,8-9,13-14H2,1-3H3,(H,32,33,34);1-2H3
InChIKeyPDVWCOAOMVLMPX-UHFFFAOYSA-N
XLogP6.67
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-(8-((3-methyl-4-((1-methyl-1H-benzo(d)imidazol-5-yl)oxy)phenyl)amino)pyrimido(5,4-d)pyrimidin-2-yl)piperidin-4-yl)acrylamide
CID 160283094
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-[4-(1H-indol-4-yloxy)phenyl]piperazine-1-carboxamide
CID 10121709
4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-N-(4-isoquinolin-5-yloxyphenyl)piperazine-1-carboxamide
CID 10168074
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
N-(4-(3-(2-((1-ethylpiperidin-4-yl)methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 46890253
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
3-[8-Amino-1-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71763140
N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide;hydrochloride
CID 49860621

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide (CID 143466056) is ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide is CC.Cc1cc(Nc2ncnc3ccc(OC4CCN(C(=O)N(C)C)CC4)cc23)ccc1Oc1ccn2ccnc2c1.
What is the InChIKey of ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PDVWCOAOMVLMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O3.C2H6/c1-20-16-21(4-7-27(20)40-24-10-12-36-15-11-31-28(36)18-24)34-29-25-17-23(5-6-26(25)32-19-33-29)39-22-8-13-37(14-9-22)30(38)35(2)3;1-2/h4-7,10-12,15-19,22H,8-9,13-14H2,1-3H3,(H,32,33,34);1-2H3.
What are the key properties of ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide?
ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 143466056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).