2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

C47H47N7O — CID 142952938

IUPAC2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC.CC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.Nc1nc(-c2ccccc2)nc2ccccc12.c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N4O.C14H11N3.C9H10.C2H6/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16;15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10;1-2-5-9-7-3-6-8(9)4-1;1-2/h3-15H,1-2H3,(H,24,25,26);1-9H,(H2,15,16,17);1-2,4-5H,3,6-7H2;1-2H3
InChIKeyJMAWRPUMSKMFMD-UHFFFAOYSA-N
MW725.94 g/mol
LogP11.30
Rot. Bonds6

About 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine

2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 142952938) has the molecular formula C47H47N7O and a molecular weight of 725.94 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID142952938
Molecular FormulaC47H47N7O
Molecular Weight725.94 g/mol
Exact Mass725.38
IUPAC Name2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCC.CC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.Nc1nc(-c2ccccc2)nc2ccccc12.c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20N4O.C14H11N3.C9H10.C2H6/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16;15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10;1-2-5-9-7-3-6-8(9)4-1;1-2/h3-15H,1-2H3,(H,24,25,26);1-9H,(H2,15,16,17);1-2,4-5H,3,6-7H2;1-2H3
InChIKeyJMAWRPUMSKMFMD-UHFFFAOYSA-N
XLogP11.30
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 511.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
N-(2-((dimethylamino)methyl)-4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4-amine
CID 23628252
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 142952938) is 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is CC.CC(C)Oc1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1.Nc1nc(-c2ccccc2)nc2ccccc12.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is JMAWRPUMSKMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.C14H11N3.C9H10.C2H6/c1-15(2)27-18-9-7-17(8-10-18)24-22-19-5-3-4-6-20(19)25-21(26-22)16-11-13-23-14-12-16;15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10;1-2-5-9-7-3-6-8(9)4-1;1-2/h3-15H,1-2H3,(H,24,25,26);1-9H,(H2,15,16,17);1-2,4-5H,3,6-7H2;1-2H3.
What are the key properties of 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine?
2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 725.94 g/mol, XLogP of 11.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;ethane;2-phenylquinazolin-4-amine;N-(4-propan-2-yloxyphenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 142952938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).