N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine

C32H33N5O3 — CID 169222949

IUPACN-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCCCN4CCOCC4)cc23)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C32H33N5O3/c1-23-20-25(9-12-29(23)40-30-8-4-6-24-7-5-13-33-31(24)30)36-32-27-21-26(10-11-28(27)34-22-35-32)39-17-3-2-14-37-15-18-38-19-16-37/h4-13,20-22H,2-3,14-19H2,1H3,(H,34,35,36)
InChIKeyUERMUKFYOVDQJX-UHFFFAOYSA-N
MW535.65 g/mol
LogP6.51
Rot. Bonds10

About N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine

N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine (PubChem CID 169222949) has the molecular formula C32H33N5O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
PubChem CID169222949
Molecular FormulaC32H33N5O3
Molecular Weight535.65 g/mol
Exact Mass535.26
IUPAC NameN-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3ccc(OCCCCN4CCOCC4)cc23)ccc1Oc1cccc2cccnc12
InChIInChI=1S/C32H33N5O3/c1-23-20-25(9-12-29(23)40-30-8-4-6-24-7-5-13-33-31(24)30)36-32-27-21-26(10-11-28(27)34-22-35-32)39-17-3-2-14-37-15-18-38-19-16-37/h4-13,20-22H,2-3,14-19H2,1H3,(H,34,35,36)
InChIKeyUERMUKFYOVDQJX-UHFFFAOYSA-N
XLogP6.51
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-isoquinolin-5-yloxy-3-methylphenyl)-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
CID 169223003
6-ethynyl-N-(3-methyl-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
CID 169222963
N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 58139957
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
6,7-bis(2-methoxyethoxy)-N-(3-methoxy-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
CID 162788069
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-amine
CID 58140046
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139893
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
N-(3-chloro-4-isoquinolin-8-yloxyphenyl)-6-[(E)-3-morpholin-4-ylprop-1-enyl]quinazolin-4-amine
CID 169222954
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[2-(1-methylpiperidin-4-yl)ethoxy]quinazolin-4-amine
CID 58139948

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine?
The IUPAC name of N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine (CID 169222949) is N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine is Cc1cc(Nc2ncnc3ccc(OCCCCN4CCOCC4)cc23)ccc1Oc1cccc2cccnc12.
What is the InChIKey of N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine?
The InChIKey is UERMUKFYOVDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3/c1-23-20-25(9-12-29(23)40-30-8-4-6-24-7-5-13-33-31(24)30)36-32-27-21-26(10-11-28(27)34-22-35-32)39-17-3-2-14-37-15-18-38-19-16-37/h4-13,20-22H,2-3,14-19H2,1H3,(H,34,35,36).
What are the key properties of N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine?
N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine has a molecular weight of 535.65 g/mol, XLogP of 6.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-quinolin-8-yloxyphenyl)-6-(4-morpholin-4-ylbutoxy)quinazolin-4-amine is sourced from PubChem (CID 169222949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).