N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine

C23H25N3 — CID 98300920

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C23H25N3/c1-15(20-14-16-11-12-18(20)13-16)24-23-19-9-5-6-10-21(19)25-22(26-23)17-7-3-2-4-8-17/h2-10,15-16,18,20H,11-14H2,1H3,(H,24,25,26)/t15-,16+,18+,20-/m1/s1
InChIKeyLQGXVFIKRVYZNB-NDUPCHFUSA-N
MW343.47 g/mol
LogP5.53
Rot. Bonds4

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine (PubChem CID 98300920) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine
PubChem CID98300920
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C23H25N3/c1-15(20-14-16-11-12-18(20)13-16)24-23-19-9-5-6-10-21(19)25-22(26-23)17-7-3-2-4-8-17/h2-10,15-16,18,20H,11-14H2,1H3,(H,24,25,26)/t15-,16+,18+,20-/m1/s1
InChIKeyLQGXVFIKRVYZNB-NDUPCHFUSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylquinolin-2-amine
CID 63536108
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-amine
CID 21004355
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 98291934
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 98271737
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-fluoropyridin-2-amine
CID 61227813
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135886874
1-(2-bicyclo[2.2.1]heptanyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 43081550
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-tert-butylphenyl)quinoline-4-carboxamide
CID 98337086

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine (CID 98300920) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine is C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine?
The InChIKey is LQGXVFIKRVYZNB-NDUPCHFUSA-N. The full InChI is InChI=1S/C23H25N3/c1-15(20-14-16-11-12-18(20)13-16)24-23-19-9-5-6-10-21(19)25-22(26-23)17-7-3-2-4-8-17/h2-10,15-16,18,20H,11-14H2,1H3,(H,24,25,26)/t15-,16+,18+,20-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine has a molecular weight of 343.47 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 98300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).